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CAS 758720-54-6 3′-Nitro-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-carboxylic acid, 98+% C11H13N3O4, MW: 251.24 molecular structure lightbox
CAS RN: 758720-54-6

3′-Nitro-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-carboxylic acid, 98+% C11H13N3O4, MW: 251.24

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-185312
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 758720-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

758720-54-6 / 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylic acid

Standard CAS: 758720-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
758720-54-6
Multi CAS
No
Molecular Formula
C11H13N3O4
Molecular Weight
251.240000
Exact Mass
251.090606
InChI
InChI=1S/C11H13N3O4/c15-11(16)8-3-6-13(7-4-8)10-9(14(17)18)2-1-5-12-10/h1-2,5,8H,3-4,6-7H2,(H,15,16)
InChIKey
QGAAHRDLCVCDAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.46
TPSA
96.57

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.2
Consensus LogP
1.21
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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